2-bromo-5-hydrazinylpyrazine

• ChemBase ID: 288561
• Molecular Formular: C4H5BrN4
• Molecular Mass: 189.0133
• Monoisotopic Mass: 187.96975818
• SMILES: NNc1ncc(Br)nc1
• Canonical SMILES: NNc1cnc(cn1)Br
• InChI: InChI=1S/C4H5BrN4/c5-3-1-8-4(9-6)2-7-3/h1-2H,6H2,(H,8,9)
• InChIKey: KFOQSLQZMLPTIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-5-hydrazinylpyrazine
• IUPAC Traditional name: 2-bromo-5-hydrazinylpyrazine
• Synonyms: 2-Bromo-5-hydrazinylpyrazine

Database IDs

• CAS Number: 1001050-24-3
• MDL Number: MFCD09881409
• PubChem SID: 180674092
• PubChem CID: 45790693

CALCULATED PROPERTIES

• Acid pKa: 17.9737
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.49427003
• LogD (pH = 7.4): 0.4982251
• Log P: 0.49827573
• Molar Refractivity: 40.2294 cm^3
• Polarizability: 14.162809 Å^3
• Polar Surface Area: 63.83 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%